2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H18N4O — CID 135496257

IUPAC2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCCC3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H18N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h7-8,15H,1-6H2,(H3,14,16,17,18)
InChIKeyZEWVUZXPYBZKSJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135496257) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135496257
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(CC3CCCCC3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H18N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h7-8,15H,1-6H2,(H3,14,16,17,18)
InChIKeyZEWVUZXPYBZKSJ-UHFFFAOYSA-N
XLogP1.96
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
2-Amino-7-({[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 136036205
2-Amino-7-{[(1,3-dihydroxypropan-2-yl)amino]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135858780
3-((4-Hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-propanol
CID 135858789
9-[6'',6''-Difluoro-6''-(diethylphosphono)hexyl]-9-deazaguanine
CID 136066048
9-[7'',7''-Difluoro-7''-(diethylphosphono)heptyl]-9-deazaguanine
CID 136066049
2-Amino-7-(8-diethoxyphosphoryl-8,8-difluorooctyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136066050
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412717
2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135496257) is 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(CC3CCCCC3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ZEWVUZXPYBZKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h7-8,15H,1-6H2,(H3,14,16,17,18).
What are the key properties of 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 246.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(cyclohexylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135496257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).